metabolite_name	DMSO1_Pos	DMSO2_Pos	DMSO3_Pos	DMSO4_Pos	DMSO5_Pos	DMSO6_Pos	CID1_Pos	CID2_Pos	CID3_Pos	CID4_Pos	CID5_Pos	CID6_Pos
acetyl-CoA	133063.821	125855.106	79763.07	68044.05	96745.416	78967.134	88387.719	79334.541	135358.299	91848.972	96118.131	71600.565
Propanoyl-CoA	31221.399	43384.341	48726.195	13642.125	23289.864	20121.597	55769.403	50613.171	90764.583	196322.619	58947.492	42712.101
crotonoyl-CoA	0	0	0	0	0	0	0	0	0	0	0	0
isobutyryl-CoA	26807.508	40590.513	48781.239	17954.34	35660.157	50901.837	109079.532	62423.67	138773.781	91589.316	149320.842	114692.787
Isovaleryl-CoA	28256.169	48897.501	58418.079	25756.686	49561.011	52287.744	148009.854	107519.577	184149.873	204500.922	235056.744	203805.444
malonyl-CoA	5929.911	5647.824	6359.547	10227.117	12042.84	1005.96	11133.408	13926.138	8915.946	2133.798	6277.836	6003.504
(S)-3-hydroxybutanoyl-CoA	0	0	0	0	0	0	0	0	0	0	0	0
Succinyl-CoA	42573.408	55697.07	57417.471	53847.744	51236.475	48101.928	72384.771	62165.325	89462.058	138883.08	63569.85	51982.62
Hydroxymethylglutaryl-CoA	0	0	0	0	0	0	0	0	0	0	0	0

metabolite_name	Chemical formula
acetyl-CoA	C23H38N7O17P3S
Propanoyl-CoA	C24H40N7O17P3S
crotonoyl-CoA	C25H40N7O17P3S
isobutyryl-CoA	C25H42N7O17P3S
Isovaleryl-CoA	C26H44N7O17P3S
malonyl-CoA	C24H38N7O19P3S
(S)-3-hydroxybutanoyl-CoA	C25H42N7O18P3S
Succinyl-CoA	C25H40N7O19P3S
Hydroxymethylglutaryl-CoA	C27H44N7O20P3S